Correction for 'Can aromaticity be a kinetic trap? Example of mechanically interlocked aromatic [2-5]catenanes built from cyclo[18]carbon' by Nikita Fedik et al., Chem. Commun., 2020, 56, 2711-2714.The chiroptical properties of multi-chromophoric systems are governed by the intermolecular arrangement of the monomeric units. We report on a computational and experimental study of the linear optical properties and supramolecular structure of a rhodamine heterodimer assembled on a DNA scaffold. The experimental absorption and circular dichroism (CD) profiles confirm the dimer formation. Computationally, starting from low-cost DFT/TDDFT simulations of the bare dimer we attribute the measured -/+ CD sign sequence of the S1/S2 bands to a specific chiral conformation of the heterodimer. In the monomers, as typical for rhodamine dyes, the electric transition dipole of the lowest π-π* transition is parallel to the long axis of the xanthene planes. We show that in the heterodimer the sign sequence of the two CD bands is related to the orientation of these long axes. To account explicitly for environment effects, we use molecular dynamics (MD) simulations for characterizing the supramolecular structure of the two optical isomers tethered on DNA. Average absorption and CD-profiles were modeled using ab initio TDDFT calculations at the geometries sampled along a few nanosecond MD run. The absorption profiles computed for both optical isomers are in good agreement with the experimental absorption spectrum and do not allow one to discriminate between them. The computed averaged CD profiles provide the orientation of monomers in the enantiomer that is dominant under the experimental conditions.The coercivity of magnetic nanoparticles is enhanced by the exchange coupling effect at the interface of ferrimagnetic and antiferromagnetic self-assembled monolayers. Antiferromagnetic Co3O4 nanocubes were regularly stacked on an ordered monolayer of ferrimagnetic Fe3O4 nanocubes by layer-by-layer manipulation using evaporation-driven self-assembly. https://www.selleckchem.com/products/b-ap15.html The ordered arrangements of the ferrimagnetic and antiferromagnetic nanocubes are effective for the enhancement of the ferromagnetic character.Light-active dinuclear iridium pentahydride complexes catalyze the decomposition of formic acid to generate H2 by irradiation (λ =395 nm) under ambient temperature and base-free conditions. The catalyst activity is sensitive to light producing H2 under light irradiation, but with no reaction being observed in the absence of light or when the light is switched off, thereby demonstrating the clear ON/OFF switching ability of this system. Importantly, the dinuclear structure of the catalyst is sufficiently stable to be maintained under the catalytic conditions employed herein.Herein, porous 1D n-p type ultra-long ZnO@Bi2O3 heterojunction nanorods have been synthesized by a solvothermal method and their complex charge transport characteristics pertaining to NO2 gas sensing properties have been investigated. The porous structure of the ZnO@Bi2O3 heterojunction nanorods assisted in achieving superior sensing properties compared to pristine ZnO nanorods. Temperature-dependent in situ electrical studies of the porous heterojunction nanorods explored the unique electron transport properties under different environments, which revealed the accumulation/depletion of electrons and charge carrier recombination leading to band bending at the metal oxide heterojunctions. The formation of electron depletion layers at n-ZnO/p-Bi2O3 interfaces is believed to increase the adsorption of oxidizing gas, resulting in a fast response time (10-12 s) and 10 times higher sensitivity than that of the ZnO nanorod-based sensor towards 500 ppb NO2. To study the structure-property correlation of the ultra-long ZnO@Bi2O3 heterojunction nanorods-based sensor, a crystallographic model supported by transmission electron microscopy analysis was adopted to understand the NO2 gas adsorption properties on the surface. The crystallographic model helps to visualize the dangling bonds and the ratio of metal to oxygen ions present at the exposed crystal planes. The results suggest that porous, ultralong n-p type ZnO@Bi2O3 heterojunction nanorods could be a promising candidate for a high performance NO2 sensor for real time applications.Two-dimensional (2D) multiferroic materials with coexistence of ferroelectricity and ferromagnetism have attracted extensive research interest due to novel physical properties and potential applications, such as in non-volatile storage nanodevices. Here, using first-principles calculations, we predicted two types of 2D materials, Sc2P2Se6 and ScCrP2Se6 monolayers with ferroelectric (FE) and multiferroic properties, respectively. The Sc2P2Se6 monolayer has out-of-plane FE polarization originating from the asymmetrical arrangement of P atoms. The FE phase is separated from the antiferroelectric (AFE) phase by an energy barrier of 0.13 eV, ensuring the stability of the FE state at room temperature. The ScCrP2Se6 monolayer formed by substituting half of the Sc atoms of Sc2P2Se6 with Cr exhibits multiferroic properties. The magnetic ground state of the ScCrP2Se6 monolayer is tunable, due to the disparity of an indirect exchange interaction between the FE and AFE phases. A reversible electrical switching between the ferromagnetic and antiferromagnetic states can be achieved in a multiferroic ScCrP2Se6 monolayer. Our theoretical results offer a new platform for the further study of 2D multiferroicity and nonvolatile magnetoelectric nanodevices.In bioelectrocatalysis, immobilised redox enzymes are activated in a bioelectronic interface without redox equivalents such as NADPH, thus enabling heterogeneous flow chemistry. The functional contact between enzyme and electrode requires a high degree of optimisation regarding choice of electrode material, electrode pre-treatment, enzyme immobilisation and reaction conditions. So far, however, there are no systems that can easily enable an optimisation procedure at a higher throughput. Here, we present an advanced platform with a vertical divided cell architecture in conjunction with a developed 96-multipotentiostat to be able to drive redox enzymes in 96 well microtiter plate based multielectrode arrays. This platform controls 96 independent three-electrode setups with arbitrary working electrode materials. We demonstrate its applicability in a mutation study of cytochrome P450 BM3 using indium tin oxide as electrode material and the 7-ethoxycoumarin product quantification assay. We show that the bioelectrocatalytic activity of P450 BM3 can be amplified when the cofactor FAD is erased from the enzyme by a single point mutation, so that FMN becomes the first electron entry point.